data_5611 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Tachykinin Peptide Neurokinin A ; _BMRB_accession_number 5611 _BMRB_flat_file_name bmr5611.str _Entry_type original _Submission_date 2002-12-02 _Accession_date 2002-12-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chandrashekar I. R. . 2 Cowsik S. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "coupling constants" 8 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-12-11 original author . stop_ _Original_release_date 2003-12-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Three-dimensional structure of the Mammalian tachykinin Peptide neurokinin a bound to lipid micelles ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14645089 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chandrashekar I. R. . 2 Cowsik S. M. . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 85 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4002 _Page_last 4011 _Year 2003 _Details . loop_ _Keyword '3 10 helix' 'DPC micelles' helix 'lipid induced conformation' stop_ save_ ################################## # Molecular system description # ################################## save_system_NEUROKININ _Saveframe_category molecular_system _Mol_system_name 'Neurokinin A' _Abbreviation_common 'Neurokinin A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Neurokinin A' $NEUROKININ stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NEUROKININ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Neurokinin _Abbreviation_common Neurokinin _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 10 _Mol_residue_sequence HKTDSFVGLM loop_ _Residue_seq_code _Residue_label 1 HIS 2 LYS 3 THR 4 ASP 5 SER 6 PHE 7 VAL 8 GLY 9 LEU 10 MET stop_ _Sequence_homology_query_date 2005-11-24 _Sequence_homology_query_revised_last_date 2003-12-18 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $NEUROKININ . . . . . . 'THIS SEQUENCE OCCURS NATURALLY IN MAMMALIAN NEURONAL TISSUE' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $NEUROKININ . . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NEUROKININ 10 mg/mL . DPC 260 mM [U-2H] H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task refinement stop_ _Details 'P.Guntert, C.Mumenthaler, K.Wuthrich' save_ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.1 loop_ _Task processing stop_ _Details BRUKER save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 . n/a pressure 1 . atm temperature 305 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label . C 13 . ppm . . . . . . $entry_citation $entry_citation . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $entry_citation $entry_citation stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'Neurokinin A' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 3 THR H 3 THR HA 6.24 . . . 2 3JHNHA 4 ASP H 4 ASP HA 6.24 . . . 3 3JHNHA 5 SER H 5 SER HA 5.3 . . . 4 3JHNHA 6 PHE H 6 PHE HA 4.4 . . . 5 3JHNHA 7 VAL H 7 VAL HA 4.5 . . . 6 3JHNHA 8 GLY H 8 GLY HA 5.1 . . . 7 3JHNHA 9 LEU H 9 LEU HA 7 . . . 8 3JHNHA 10 MET H 10 MET HA 7 . . . stop_ save_